Methyl 3-(2-thienyl)benzoate
Basic information
- CAS
17595-85-6- Standard SMILES
COC(=O)c1cccc(-c2cccs2)c1- InChIKey
MTYCPVXBEPSDOY-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015056
Names & identifiers
- Preferred name
- Methyl 3-(2-thienyl)benzoate
- IUPAC
- methyl 3-thiophen-2-ylbenzoate
Names & synonyms
17595-85-6methyl 3-(2-thienyl)benzoatemethyl 3-(thiophen-2-yl)benzoate3-thiophen-2-ylbenzoic acid methyl ester2-(3-methoxycarbonylphenyl)thiopheneMethyl 3-thiophen-2-ylbenzoateSCHEMBL6802813DTXSID70399635MTYCPVXBEPSDOY-UHFFFAOYSA-NMFCD06204245AKOS004113975DS-000986
Show more names
Benzoic acid, 3-(2-thienyl)-, methyl ester
Database identifiers
- CAS
17595-85-6- PubChem CID
- 4128465
- DTXSID
DTXSID70399635- Nikkaji
- J1.994.414J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
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Related reactions
2 records
Compound notes
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